ID: 62749
SMILES:C(CCC)Cc1cc(O)c2c(c1)OC(C)(CC=CC(C)(O)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.118
InChIKey:ZYHGZZUAZWMFHB-UHFFFAOYSA-N
ID: 62750
SMILES:c1(C2c3c(c(CCCCC)cc(O)c3)OC(C)(C)O2)cc2c(cc1)OC(C)(C)C1C(C=C(C)CC1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 490.684
CB1 binding score: -14.71
InChIKey:NGWMTXUPZFHSHK-UHFFFAOYSA-N
ID: 62751
SMILES:C(=Cc1cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2)C=C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 312.409
CB1 binding score: -12.851
InChIKey:GOLGNHJFSHGTNM-UHFFFAOYSA-N
ID: 62752
SMILES:CC1(O)C(C)=CC(c2c(O)cc(CCCCC)cc2O)C(C)(C)C=C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -11.635
InChIKey:ADDTVVMMBPGRKK-UHFFFAOYSA-N
ID: 62753
SMILES:C1C2C(C)(C)Oc3c(c(O)cc(CCCCC)c3)C2C=C(C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 62754
SMILES:C1(C)(C)C2C(c3c(cc(CCCCC)cc3O)O1)CC(C)=CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 62755
SMILES:CC(C)C1C(c2cc(CCCCC)ccc2O)C=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Sesquiterpenoids
Class: Cadinane sesquiterpenoids;Cannabinoids
MW: 300.486
CB1 binding score: -18.255
InChIKey:FVMNSBXLYRKHTD-UHFFFAOYSA-N
ID: 62756
SMILES:C1CC(C)=CC2C1C(C)(C)Oc1cc(C)ccc12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 242.362
CB1 binding score: -19.037
InChIKey:TWNNHTGNOPUEHO-UHFFFAOYSA-N
ID: 62757
SMILES:CCCc1cc(O)c(C2C=C(C)CCC2C(=C)C)cc1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 270.416
CB1 binding score: -20.718
InChIKey:RGRVRWPXYHVOQC-UHFFFAOYSA-N
ID: 62758
SMILES:O(C)c1cc(CCCCC)cc2c1C1C=C(C(=O)OC)C(O)C(O)C21O
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 362.422
CB1 binding score: -13.179
InChIKey:XYPGZGYLWNHFPG-UHFFFAOYSA-N
ID: 62759
SMILES:C12CCC(CO)=CC1c1c(O)cc(CCCC=CCC)cc1OC2(C)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.506
CB1 binding score: -16.417
InChIKey:NSCGMYZAHSOTAX-UHFFFAOYSA-N
ID: 62760
SMILES:Oc1c2cc(c(CO)c1)C1C(C(C)(C)O2)CCC(C)=C1
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 274.36
CB1 binding score: -15.275
InChIKey:CJJRJFKEJLPLRY-UHFFFAOYSA-N
ID: 62761
SMILES:Oc1cc(CC=C(C)C)c(O)c2c1C1C(CCC(C)=C1)C(C)(C)O2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 328.452
CB1 binding score: -17.156
InChIKey:INNWYQJRXOYVJM-UHFFFAOYSA-N
ID: 62762
SMILES:c1(Cl)nc(CCCCC)cc2c1-c1c(cc(C)cc1O)CC1(O)C3C(C(C)(C)O1)CC(Br)C3(C)C(Br)C2
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 655.899
CB1 binding score: -15.365
InChIKey:XMGYMEQGHYJXTI-UHFFFAOYSA-N
ID: 62763
SMILES:C1(=O)CC2C(c3c(cc(CCCCC)cc3O)OC2(C)C)O1
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 304.386
CB1 binding score: -17.148
InChIKey:DZPOMMWTQRQFLZ-UHFFFAOYSA-N
ID: 62764
SMILES:C1C(C)C2(Oc3c(c(O)cc(CCCCC)c3)C2)C2C(C)(C=CC3C(C)(C)C32)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 394.599
CB1 binding score: -14.226
InChIKey:JDFMJXWJZLNLLI-UHFFFAOYSA-N
ID: 62765
SMILES:C(CCc1cc2c(c(O)c1)C1CC(C)C=CC1C(C)(C)O2)=C(C)C
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -15.358
InChIKey:IHXFOPHSSIJMLE-UHFFFAOYSA-N
ID: 62766
SMILES:C(CC(C)=O)C1C(C)(C)Oc2c(cc(O)cc2CCC)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 290.403
CB1 binding score: -12.582
InChIKey:CZGFKRKBJCGZSU-UHFFFAOYSA-N
ID: 62767
SMILES:O=C1C(C(=C)C)C(c2ccc(CCCC)cc2O)C=C1C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 284.399
CB1 binding score: -17.558
InChIKey:OYUPWJDHFIUMJD-UHFFFAOYSA-N
ID: 62768
SMILES:CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.451
CB1 binding score: -18.707
InChIKey:OGXXAQFMAFTSRU-UHFFFAOYSA-N
ID: 62769
SMILES:C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C3(C)C(O3)C1O2
Pathway: Polyketides
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 318.413
CB1 binding score: -15.706
InChIKey:NSSFZQVJJFYZER-UHFFFAOYSA-N